1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

C13H17NOSi — CID 14822594

IUPAC1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2ccccc21
InChIInChI=1S/C13H17NOSi/c1-16(2,3)15-13(10-14)9-8-11-6-4-5-7-12(11)13/h4-7H,8-9H2,1-3H3
InChIKeyXZTOBAKJNLBBRH-UHFFFAOYSA-N
MW231.37 g/mol
LogP3.20
Rot. Bonds2

About 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (PubChem CID 14822594) has the molecular formula C13H17NOSi and a molecular weight of 231.37 g/mol. Its IUPAC name is 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
PubChem CID14822594
Molecular FormulaC13H17NOSi
Molecular Weight231.37 g/mol
Exact Mass231.11
IUPAC Name1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2ccccc21
InChIInChI=1S/C13H17NOSi/c1-16(2,3)15-13(10-14)9-8-11-6-4-5-7-12(11)13/h4-7H,8-9H2,1-3H3
InChIKeyXZTOBAKJNLBBRH-UHFFFAOYSA-N
XLogP3.20
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (CID 14822594) is 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCc2ccccc21.
What is the InChIKey of 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The InChIKey is XZTOBAKJNLBBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSi/c1-16(2,3)15-13(10-14)9-8-11-6-4-5-7-12(11)13/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile has a molecular weight of 231.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 14822594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).